Geometry & MOs

Info

ID:	260938
PubChem CID:	103210195
Reduced:	SBr2O2F3C9H9 (1)
Stoich.:	AB2C2D3E9F9 (1)
Weight, g/mol:	389.96837
ΔH_f, kcal/mol:	-208.78
Dipole, Da:	2.17
IP(EA), eV:	-9.66(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-iodophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol

Drug info:

PubChemData

Smile

C1=C(SC(=C1C(CCOCC(F)(F)F)O)Br)Br

DOS

IR

Vibrations